Hi Tim: Please share the error or warning messages to help you better.
Thanks Velusamy K. Velu (614) 323-9649 <https://peruselab.com> <https://www.linkedin.com/company/peruselab/> <https://twitter.com/PeruseLab> <https://www.facebook.com/PeruseLab/> On Wed, Jan 10, 2024 at 11:31 AM Tim Dudgeon <tdudgeon...@gmail.com> wrote: > I'm having difficulty reading V3000 SDF files. > The IteratingMDLReader docs ( > https://cdk.github.io/cdk/1.4/docs/api/org/openscience/cdk/io/iterator/IteratingMDLReader.html) > seem to suggest that it will read V3000, but maybe it has to be > specifically told to use V3000 format (which would be a pain to work out)? > > I'm using it like this: > > File sdfFile = new File(file); > IteratingMDLReader reader = new IteratingMDLReader( > new FileInputStream(sdfFile), > DefaultChemObjectBuilder.getInstance() > ); > > BTW, I'm forced into using an old 1.4 version for reasons out of my > control. > _______________________________________________ > Cdk-user mailing list > Cdk-user@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/cdk-user >
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